UCSF

ZINC08813162

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2007 32 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 5.93 14.01 -53.48 2 4 1 46 444.624 7
Hi High (pH 8-9.5) 5.93 11.69 -14.95 1 4 0 45 443.616 7

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )